English

Symmetry-constrained low-energy effective Hamiltonian for topological RuC and OsC monolayers

Applied Physics 2026-07-10 v1 Mesoscale and Nanoscale Physics Materials Science

Abstract

We derive a low-energy kp\mathbf{k}\cdot\mathbf{p} effective Hamiltonian for monolayer osmium carbide (OsC) and ruthenium carbide (RuC) in a planar hexagonal configuration. First-principles calculations indicate that both monolayers are dynamically stable and exhibit features of a two-dimensional quantum spin Hall (QSH) phase, characterized by a nontrivial Z2\mathbb{Z}_2 topological invariant. Using symmetry analysis at the Γ\Gamma point, we construct a multiband kp\mathbf{k}\cdot\mathbf{p} Hamiltonian including spin-orbit coupling and reduce it to a four-band low-energy model through L\"owdin partitioning. The effective Hamiltonian has a block-diagonal form, with two blocks related by time-reversal symmetry, analogous to the Bernevig--Hughes--Zhang (BHZ) model. In contrast to the standard BHZ form, the symmetry-allowed off-diagonal coupling contains quadratic momentum-dependent terms, which modify the low-energy dispersion near the Γ\Gamma point. The fitted parameters reproduce the ab initio band structures in the low-energy region, yielding a compact model for analyzing the electronic and topological properties of monolayer OsC and RuC.

Keywords

Cite

@article{arxiv.2607.09129,
  title  = {Symmetry-constrained low-energy effective Hamiltonian for topological RuC and OsC monolayers},
  author = {A. Baradaran and O. Sedaghatfar},
  journal= {arXiv preprint arXiv:2607.09129},
  year   = {2026}
}

Comments

35 pages, 3 figures. Accepted for publication in Journal of Physics: Condensed Matter